SCHEMBL5207648

SCHEMBL5207648

O=C(CCc1oc(SCc2ccccn2)nc1-c1ccc(Cl)cc1)N1CCC(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
PARP14 Q460N5 1/20 0.38
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
GRIN2B Q13224 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 3/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5211139 0.88 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL7457869 0.84 RXRA (0.47) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL5209112 0.83 POLB (0.40) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
Trifluoroacetic Acid SCHEMBL6611495 0.81 TACR1 (0.39) SMN1; SMN2ALDH1A1LMNAPOLBTACR1
SCHEMBL5212167 0.80 POLB (0.38) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL5215135 0.78 POLB (0.44) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL5213964 0.77 KMT2A (0.44) MAPTNPC1RAB9ATSHRGRIN2B
SCHEMBL5208646 0.76 POLB (0.45) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL5215239 0.75 HTR2C (0.44) MAPTNPC1RAB9APOLBTNKS
SCHEMBL5212400 0.75 TACR1 (0.39) MAPTGRIN2BHPGDPOLBTNKS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 SMN1; SMN2 584/4885ALDH1A1 1651/4885PARP14 3974/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.